UCSF

ZINC27562713

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2009 25 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -2.31 1.62 -101.02 5 7 0 119 352.341 3
Mid Mid (pH 6-8) -2.31 2.68 -150.29 7 7 2 118 354.357 3
Mid Mid (pH 6-8) -2.31 1.92 -183.18 6 7 1 121 353.349 3
Mid Mid (pH 6-8) -4.72 0.53 -94.35 6 7 1 122 353.349 2

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )